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pro vyhledávání: '"Christiane Pivont-Malherbe"'
Autor:
Daniel Peeters, Jean-Marie André, Georges Leroy, Françoise Clarisse, Christiane Pivont-Malherbe, S. Delhalle, Joseph Delhalle
Publikováno v:
Theoretica Chimica Acta. 43:215-225
The application of the Linear Combination of Localized Orbitals (LCLO) method to the band structure of polyethylene in the T, TG, TGTG' and G conformations is reported. The method uses full ab initio results on molecules to construct Fock matrix elem